==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-03 1PO9 . COMPND 2 MOLECULE: ISOASPARTYL DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.JOZIC,J.T.KAISER,R.HUBER,W.BODE,K.MASKOS . 746 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 64 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 3 3 2 0 2 2 0 3 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 12 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 6 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 229 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.4 23.9 53.8 18.8 2 2 A I - 0 0 116 1,-0.1 2,-0.7 2,-0.0 0, 0.0 -0.483 360.0-118.0 -74.1 142.9 27.3 52.5 19.7 3 3 A D + 0 0 112 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.749 44.0 157.0 -89.3 114.6 27.4 48.8 20.6 4 4 A Y > + 0 0 102 -2,-0.7 3,-1.7 1,-0.1 4,-0.4 0.200 39.8 111.9-116.9 12.2 28.5 48.0 24.2 5 5 A T G > + 0 0 71 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.720 60.6 76.3 -59.9 -23.4 26.9 44.6 24.5 6 6 A A G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.723 90.1 57.5 -61.6 -21.5 30.3 42.9 24.6 7 7 A A G < S- 0 0 18 -3,-1.7 25,-3.4 24,-0.1 26,-0.3 0.720 94.3-145.1 -82.0 -21.4 30.7 44.0 28.2 8 8 A G < - 0 0 39 -3,-1.2 25,-0.3 -4,-0.4 2,-0.2 0.933 20.1-160.6 56.4 46.4 27.5 42.3 29.4 9 9 A F + 0 0 34 -5,-0.4 42,-3.0 40,-0.3 2,-0.4 -0.444 14.6 177.5 -62.5 124.6 26.8 45.1 31.8 10 10 A T E -Ab 30 51A 17 20,-2.0 20,-3.0 40,-0.2 2,-0.6 -0.998 15.8-160.4-134.5 128.4 24.3 43.9 34.4 11 11 A L E -Ab 29 52A 0 40,-3.1 42,-3.7 -2,-0.4 2,-0.8 -0.943 0.8-166.6-113.6 116.4 23.1 45.9 37.4 12 12 A L E -Ab 28 53A 1 16,-2.6 16,-2.4 -2,-0.6 2,-0.3 -0.898 24.7-179.4-101.0 108.2 21.6 43.9 40.3 13 13 A Q E + b 0 54A 58 40,-2.4 42,-3.1 -2,-0.8 43,-0.2 -0.839 43.6 16.0-119.3 152.3 19.8 46.5 42.5 14 14 A G S S+ 0 0 21 -2,-0.3 43,-0.8 1,-0.2 44,-0.2 0.437 79.9 132.6 79.6 1.7 17.8 46.8 45.7 15 15 A A - 0 0 0 11,-0.4 11,-2.4 41,-0.2 2,-1.0 -0.508 65.9-112.0 -86.9 155.7 18.7 43.4 47.1 16 16 A H E -Ef 25 59B 61 42,-2.4 44,-1.8 39,-0.3 2,-0.3 -0.785 43.8-142.5 -85.3 106.5 19.8 42.8 50.7 17 17 A L E +Ef 24 60B 0 7,-2.6 6,-3.4 -2,-1.0 7,-0.5 -0.571 27.3 179.9 -81.1 130.2 23.4 41.7 50.1 18 18 A Y E -E 22 0B 23 42,-2.8 3,-0.3 -2,-0.3 4,-0.3 -0.934 2.1-177.6-125.9 100.9 25.1 39.0 52.1 19 19 A A S S- 0 0 1 2,-2.6 315,-1.7 -2,-0.5 3,-0.1 0.148 87.2 -78.0 -95.6 19.6 28.6 38.9 50.6 20 20 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 295,-0.1 -0.999 135.5 81.7 -74.2 -13.3 28.4 36.7 52.8 21 21 A E S S- 0 0 66 -3,-0.3 -2,-2.6 1,-0.1 2,-0.4 -0.305 98.7-103.1 -57.2 135.4 28.9 39.6 55.2 22 22 A D E +E 18 0B 92 -4,-0.3 -4,-0.2 1,-0.2 -1,-0.1 -0.468 47.7 168.1 -63.3 114.6 25.6 41.5 55.7 23 23 A R E - 0 0 111 -6,-3.4 -1,-0.2 -2,-0.4 -5,-0.2 0.212 36.1-137.9-112.8 12.1 25.9 44.6 53.6 24 24 A G E -E 17 0B 23 -7,-0.5 -7,-2.6 -8,-0.1 2,-0.5 -0.158 65.6 -8.2 61.3-161.8 22.3 45.6 53.9 25 25 A I E S+E 16 0B 114 -9,-0.3 2,-0.3 -3,-0.1 -9,-0.2 -0.553 88.9 153.4 -68.3 115.9 20.5 46.8 50.8 26 26 A C - 0 0 1 -11,-2.4 -11,-0.4 -2,-0.5 14,-0.2 -0.998 37.9-130.4-149.1 145.1 23.3 47.2 48.2 27 27 A D E - C 0 39A 6 12,-2.4 12,-1.3 -2,-0.3 2,-0.4 -0.569 14.0-152.9 -93.4 159.9 23.6 47.1 44.5 28 28 A V E -AC 12 38A 0 -16,-2.4 -16,-2.6 10,-0.2 2,-0.5 -0.984 4.2-154.3-136.5 122.8 26.2 45.1 42.5 29 29 A L E -AC 11 37A 7 8,-2.6 7,-2.6 -2,-0.4 8,-1.2 -0.841 13.1-162.5 -99.9 131.8 27.4 46.1 39.1 30 30 A V E +AC 10 35A 4 -20,-3.0 -20,-2.0 -2,-0.5 2,-0.3 -0.903 14.7 168.9-118.6 143.5 28.7 43.4 36.7 31 31 A A E > S- C 0 34A 5 3,-2.8 3,-2.3 -2,-0.4 -23,-0.2 -0.970 71.0 -6.1-151.1 133.2 30.9 43.5 33.6 32 32 A N T 3 S- 0 0 123 -25,-3.4 -24,-0.1 -2,-0.3 3,-0.1 0.868 128.1 -56.5 49.4 42.8 32.6 40.7 31.6 33 33 A G T 3 S+ 0 0 17 -26,-0.3 307,-2.7 -25,-0.3 2,-0.4 0.616 118.8 109.1 68.1 11.3 31.5 38.2 34.3 34 34 A K E < S-CD 31 339A 100 -3,-2.3 -3,-2.8 305,-0.3 2,-0.6 -0.924 75.0-118.3-122.4 146.1 33.3 40.2 37.0 35 35 A I E +C 30 0A 1 303,-3.2 302,-3.8 -2,-0.4 -5,-0.2 -0.714 34.0 173.9 -79.2 120.8 31.9 42.3 39.8 36 36 A I E + 0 0 79 -7,-2.6 2,-0.3 -2,-0.6 -6,-0.2 0.508 61.7 17.6-108.3 -6.0 33.1 45.8 39.1 37 37 A A E -C 29 0A 28 -8,-1.2 -8,-2.6 298,-0.1 2,-0.4 -0.933 49.1-172.0-166.1 140.2 31.3 47.7 41.9 38 38 A V E +C 28 0A 24 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.900 40.2 119.3-137.3 102.7 29.5 47.0 45.1 39 39 A A E -C 27 0A 44 -12,-1.3 -12,-2.4 -2,-0.4 3,-0.5 -0.989 63.2 -86.5-159.9 164.3 27.6 50.0 46.6 40 40 A S S S+ 0 0 77 -2,-0.3 -14,-0.1 -14,-0.2 -2,-0.0 -0.587 103.9 1.4 -77.5 134.5 24.3 51.5 47.7 41 41 A N S S- 0 0 140 -2,-0.3 -1,-0.2 1,-0.2 -28,-0.1 0.944 73.3-169.4 55.1 65.1 22.4 53.1 44.9 42 42 A I - 0 0 15 -3,-0.5 -1,-0.2 1,-0.1 -14,-0.1 -0.713 36.7-101.0 -83.8 128.4 24.5 52.7 41.8 43 43 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.258 22.4-138.5 -51.8 126.3 23.1 54.9 38.9 44 44 A S T 3 S+ 0 0 66 1,-0.3 6,-0.2 2,-0.1 -33,-0.1 0.516 105.9 44.8 -65.5 -4.0 21.1 52.6 36.6 45 45 A D T 3 S+ 0 0 129 1,-0.1 -1,-0.3 4,-0.1 4,-0.0 0.122 75.5 111.9-124.7 17.5 22.7 54.5 33.7 46 46 A I S < S+ 0 0 91 -3,-2.2 -2,-0.1 1,-0.1 -1,-0.1 0.816 88.6 26.8 -60.9 -31.4 26.3 54.5 35.0 47 47 A V S > S- 0 0 22 -4,-0.3 3,-0.5 -3,-0.1 -1,-0.1 -0.968 93.1-108.8-131.7 147.9 27.2 52.2 32.2 48 48 A P T 3 S+ 0 0 59 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.324 93.4 15.3 -76.7 158.3 25.6 51.9 28.7 49 49 A N T 3 S+ 0 0 80 1,-0.2 2,-0.5 -41,-0.1 -40,-0.3 0.884 87.8 169.2 47.9 45.1 23.5 49.0 27.4 50 50 A C < - 0 0 23 -3,-0.5 2,-0.8 -6,-0.2 -40,-0.2 -0.783 36.2-138.1 -96.1 124.9 23.1 47.8 31.0 51 51 A T E -b 10 0A 85 -42,-3.0 -40,-3.1 -2,-0.5 2,-0.5 -0.702 24.0-157.3 -79.0 110.7 20.6 45.1 32.0 52 52 A V E -b 11 0A 61 -2,-0.8 2,-0.5 -42,-0.2 -40,-0.2 -0.824 5.6-163.4 -96.2 125.4 19.1 46.4 35.2 53 53 A V E -b 12 0A 22 -42,-3.7 -40,-2.4 -2,-0.5 2,-0.9 -0.936 13.9-140.1-112.5 120.3 17.6 43.7 37.5 54 54 A D E +b 13 0A 108 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.684 30.1 165.0 -81.3 105.4 15.2 44.8 40.2 55 55 A L > + 0 0 4 -42,-3.1 3,-2.3 -2,-0.9 -39,-0.3 0.032 18.6 147.1-108.7 24.4 16.0 42.6 43.2 56 56 A S T 3 S+ 0 0 62 1,-0.3 -41,-0.2 -43,-0.2 3,-0.1 -0.405 73.5 18.4 -61.6 133.3 14.1 44.8 45.8 57 57 A G T 3 S+ 0 0 57 -43,-0.8 -1,-0.3 1,-0.3 2,-0.2 0.438 111.1 99.0 84.7 -0.8 12.7 42.5 48.4 58 58 A Q S < S- 0 0 48 -3,-2.3 -42,-2.4 -44,-0.2 2,-0.4 -0.659 70.5-117.3-113.8 172.2 15.1 39.7 47.5 59 59 A I E -fG 16 345B 8 286,-3.4 286,-3.0 -44,-0.2 2,-0.4 -0.870 19.0-161.8-111.1 143.3 18.4 38.4 48.9 60 60 A L E +fG 17 344B 0 -44,-1.8 -42,-2.8 -2,-0.4 284,-0.2 -0.992 22.6 151.9-126.2 127.5 21.7 38.3 47.0 61 61 A C E - G 0 343B 0 282,-2.0 282,-2.8 -2,-0.4 -42,-0.2 -0.913 47.7 -72.2-146.4 171.9 24.7 36.1 48.1 62 62 A P E - G 0 342B 2 0, 0.0 280,-0.3 0, 0.0 3,-0.1 -0.360 54.4-104.6 -68.3 148.1 27.7 34.3 46.7 63 63 A G - 0 0 3 278,-1.9 269,-0.2 292,-0.1 34,-0.2 -0.366 46.3 -96.9 -67.4 153.6 27.2 31.2 44.6 64 64 A F E -k 97 0C 0 32,-2.9 34,-2.3 -3,-0.1 35,-1.8 -0.444 25.5-146.5 -75.9 148.8 27.9 28.0 46.4 65 65 A I E -k 99 0C 3 253,-2.9 2,-0.8 32,-0.2 35,-0.2 -0.959 12.2-167.0-115.8 109.9 31.3 26.2 46.0 66 66 A D E -k 100 0C 1 33,-2.5 35,-2.2 -2,-0.6 3,-0.2 -0.859 6.7-177.9-102.2 104.0 30.8 22.4 46.3 67 67 A Q E + 0 0 5 -2,-0.8 2,-0.2 215,-0.3 -1,-0.1 0.276 68.1 58.2 -88.0 12.8 34.2 20.8 46.7 68 68 A H E + 0 0 1 214,-0.1 217,-2.1 35,-0.0 218,-0.9 -0.640 66.1 135.8-143.8 82.6 33.1 17.1 46.7 69 69 A V E -kl 102 286C 0 32,-1.8 2,-1.8 216,-0.2 34,-1.6 -0.995 51.1-138.1-133.9 133.9 31.3 16.0 43.6 70 70 A H > + 0 0 8 216,-2.6 3,-1.7 -2,-0.4 17,-0.1 -0.593 32.2 177.7 -88.0 75.5 31.6 12.9 41.5 71 71 A L T 3 S+ 0 0 0 -2,-1.8 16,-2.7 1,-0.3 -1,-0.2 0.797 76.8 38.7 -50.3 -41.4 31.3 14.9 38.2 72 72 A I T 3 S- 0 0 14 1,-0.4 -1,-0.3 31,-0.3 14,-0.2 0.414 128.1 -89.9 -93.9 4.1 31.8 11.9 35.9 73 73 A G < - 0 0 1 -3,-1.7 -1,-0.4 213,-0.2 13,-0.1 -0.219 44.8-159.7 106.8 159.8 29.7 9.7 38.1 74 74 A G + 0 0 6 213,-0.7 10,-1.5 11,-0.2 214,-0.1 -0.350 42.7 86.3-143.2-135.7 30.7 7.4 40.9 75 75 A G B +S 83 0D 23 8,-0.3 32,-0.4 -2,-0.1 8,-0.3 -0.233 23.4 142.4 63.1-151.3 29.3 4.4 42.8 76 76 A G > + 0 0 21 6,-1.3 3,-1.3 3,-0.2 7,-0.2 0.410 34.0 123.4 94.6 -0.1 29.9 0.9 41.5 77 77 A E T 3 S+ 0 0 98 5,-0.3 -2,-0.1 1,-0.3 6,-0.0 0.620 78.7 43.1 -69.0 -14.8 30.3 -0.7 45.0 78 78 A A T 3 S- 0 0 73 1,-0.6 -1,-0.3 0, 0.0 3,-0.3 -0.226 132.4 -67.4-122.8 41.5 27.6 -3.2 44.3 79 79 A G S X S- 0 0 26 -3,-1.3 3,-2.2 1,-0.2 -1,-0.6 -0.122 70.4 -58.9 96.8 165.4 28.6 -4.1 40.8 80 80 A P G > S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 417,-0.2 0.704 125.3 69.4 -56.8 -23.0 28.6 -2.1 37.5 81 81 A T G 3 S+ 0 0 24 1,-0.3 666,-0.1 -3,-0.3 667,-0.1 0.691 93.9 59.5 -70.3 -15.6 24.9 -1.4 37.6 82 82 A T G < S+ 0 0 32 -3,-2.2 -6,-1.3 -6,-0.1 2,-0.7 0.284 72.0 118.5 -95.1 11.3 25.6 0.9 40.6 83 83 A R B < -S 75 0D 16 -3,-1.5 -8,-0.3 -8,-0.3 665,-0.2 -0.694 62.9-137.6 -78.5 116.2 27.9 3.1 38.6 84 84 A T - 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m 0 131C 1 -35,-2.2 -32,-1.8 -2,-0.3 31,-0.3 -0.982 24.0-153.2-121.1 115.8 35.7 20.4 42.6 102 102 A G E +km 69 132C 0 29,-3.2 31,-1.8 -2,-0.5 2,-0.3 -0.543 20.0 166.0 -88.3 157.0 35.3 17.0 41.0 103 103 A L - 0 0 0 -34,-1.6 -31,-0.3 29,-0.2 2,-0.2 -0.971 30.1-114.5-160.6 167.8 36.9 13.8 42.3 104 104 A L - 0 0 4 31,-0.4 4,-0.1 -2,-0.3 -30,-0.1 -0.688 27.8-169.2-106.4 164.1 36.8 10.0 42.1 105 105 A G - 0 0 6 2,-0.5 32,-2.0 -2,-0.2 33,-0.4 0.059 55.3 -24.7-122.2-130.2 35.9 7.5 44.7 106 106 A T S S+ 0 0 47 30,-0.1 2,-0.7 31,-0.1 32,-0.2 0.899 119.9 67.0 -57.0 -43.0 36.0 3.8 45.5 107 107 A D + 0 0 30 -32,-0.4 -2,-0.5 1,-0.1 -1,-0.1 -0.731 42.5 145.8 -91.3 111.5 36.1 3.0 41.8 108 108 A S + 0 0 6 -2,-0.7 -1,-0.1 -4,-0.1 -2,-0.1 -0.089 67.3 72.1-128.4 28.4 39.3 4.0 39.9 109 109 A I S S+ 0 0 105 380,-0.1 380,-0.1 3,-0.1 381,-0.1 0.721 113.2 21.4-107.5 -44.7 39.2 1.0 37.6 110 110 A S S S+ 0 0 5 380,-0.1 2,-0.4 379,-0.1 377,-0.2 0.391 123.3 67.2-103.5 -1.7 36.3 2.0 35.5 111 111 A R - 0 0 23 -6,-0.1 -7,-0.1 378,-0.0 -38,-0.0 -0.961 68.2-169.5-119.6 138.9 36.7 5.7 36.4 112 112 A H >> - 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